1R0E

Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.957, 84.009, 180.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.290 - 2.250
R-factor	0.22455
Rwork	0.223
R-free	0.25171
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h8f
RMSD bond length	0.012
RMSD bond angle	1.268
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	60350
Completeness [%]	98.3	99.5
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	277	PEG3350, ammonium fluoride, pH 7.4, VAPOR DIFFUSION, temperature 277K